2GUN
RNA-Binding Affinities and Crystal Structure of Oligonucleotides containing Five-Atom Amide-Based Backbone Structures
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2001-11-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9203 |
| Spacegroup name | P 43 |
| Unit cell lengths | 47.231, 47.231, 24.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| Rwork | 0.235 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 2391 | |
| Completeness [%] | 91.9 | 92.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.5 mM cobalt hexamine, 5 mM spermine tetrachloride, 80 mM sodium cacodylate buffer (pH = 7.0) and 10% (v/v) 2-methyl-2,4-pentanediol (MPD)., VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | cobalt hexamine | ||
| 2 | 1 | 1 | spermine tetrachloride | ||
| 3 | 1 | 1 | sodium cacodylate | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | cobalt hexamine | ||
| 7 | 1 | 2 | sodium cacodylate | ||
| 8 | 1 | 2 | H2O |
